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Ligand · W12

W12 · (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol

W12, (2S)-3-{4-[4-(4-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}phenyl)heptan-4-yl]phenoxy}propane-1,2-diol (C28 H42 O5, 458.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
W12
Formula
C28 H42 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

W12 in 2 structures; the first of them:

  • 3W0H · Crystal Structure of Rat VDR Ligand Binding Domain in Complex with Novel Nonsecosteroidal… · W12 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 22 more
  • 3W0H · Crystal structure of rat vdr ligand binding domain in complex with novel nonsecosteroidal… · W12 A501 · binds TYR143, TYR147, PHE150, LEU223, LEU226, ALA227, LEU229, VAL230 and 22 more

Residues it binds most

LEU 2, TYR 2, SER 2, VAL 2, ALA 2, ASP 2, GLN 2, HIS 2, PHE 2, ARG 2 (residue and the binding sites it lines).

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